Paraxanthine

CAS Registry Number®

611-59-6

CAS Name

Paraxanthine

Molecular Formula

C7H8N4O2

Molecular Mass

180.16

Cite this Page

Paraxanthine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=611-59-6 (retrieved 2024-11-21) (CAS RN: 611-59-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    297-299 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)

InChIKey

InChIKey=QUNWUDVFRNGTCO-UHFFFAOYSA-N

SMILES

O=C1C2=C(NC(=O)N1C)N=CN2C

Canonical SMILES

O=C1NC=2N=CN(C2C(=O)N1C)C

Other Names for this Substance

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,7-dimethyl-
  • Paraxanthine
  • 3,7-Dihydro-1,7-dimethyl-1H-purine-2,6-dione
  • 1,7-Dimethylxanthine
  • NSC 400018

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration